SCHEMBL9216719

SCHEMBL9216719

O=C1c2ccccc2C2(c3nccs3)SCCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
OPRL1 P41146 1/20 0.35
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.32
PARP1 P09874 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM5 P08912 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
MPI P34949 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2A Q92830 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9206714 0.80 HSD11B1 (0.38) NPC1POLBHSD17B10HTTSMN1; SMN2
SCHEMBL9212291 0.78 NPC1 (0.37) NPC1POLBOPRL1HTTSMN1; SMN2
SCHEMBL9216390 0.78 RXFP1 (0.41) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9123045 0.77 NPC1 (0.50) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9222286 0.77 NPC1 (0.50) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9213175 0.77 NPC1 (0.50) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9209781 0.77 NPC1 (0.34) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9213340 0.76 NPC1 (0.36) NPC1POLBHSD17B10HTTSMN1; SMN2
SCHEMBL9209672 0.75 POLB (0.40) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9739760 0.75 OPRL1 (0.38) NPC1POLBOPRL1HSD17B10HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569457-B1 USE OF THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO- [2,3-A]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1995-06-14 EP disclosed
EP-0569457-A1 USE OF THIAZOLO- 2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO- 2,3-A]ISOINDOLE DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1993-11-18 EP disclosed
WO-1992013863-A1 USE OF THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1992-08-20 WO disclosed